ChemSpider 2D Image | N-Cyclohexyl-2-[(11aS)-5-(4-methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzamide | C33H32N4O3

N-Cyclohexyl-2-[(11aS)-5-(4-methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzamide

  • Molecular FormulaC33H32N4O3
  • Average mass532.632 Da
  • Monoisotopic mass532.247437 Da
  • ChemSpider ID17468987

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Benzamide, N-cyclohexyl-2-[(11aS)-5,6,11,11a-tetrahydro-5-(4-methylphenyl)-1,3-dioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]- [ACD/Index Name]
N-Cyclohexyl-2-[(11aS)-5-(4-methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzamid [German] [ACD/IUPAC Name]
N-Cyclohexyl-2-[(11aS)-5-(4-methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzamide [ACD/IUPAC Name]
N-Cyclohexyl-2-[(11aS)-5-(4-méthylphényl)-1,3-dioxo-5,6,11,11a-tétrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzamide [French] [ACD/IUPAC Name]
956813-43-7 [RN]
N-cyclohexyl-2-((11aS)-1,3-dioxo-5-(p-tolyl)-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzamide

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.721
    Molar Refractivity: 153.4±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 4.80
    ACD/LogD (pH 5.5): 4.98
    ACD/BCF (pH 5.5): 3587.16
    ACD/KOC (pH 5.5): 12192.28
    ACD/LogD (pH 7.4): 4.98
    ACD/BCF (pH 7.4): 3587.16
    ACD/KOC (pH 7.4): 12192.28
    Polar Surface Area: 86 Å2
    Polarizability: 60.8±0.5 10-24cm3
    Surface Tension: 73.2±5.0 dyne/cm
    Molar Volume: 388.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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